艾司佐匹克隆
TL;DR: 艾司佐匹克隆 (CAS 138729-47-2) is a chemical compound with molecular formula C17H17ClN6O3 and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
艾司佐匹克隆
[(7S)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyrazin-7-yl] 2-(5-chloro-2-pyridinyl)-4-methylpiperazine-1-carboxylate
Also Known As: Eszopiclone
| Molecular Formula | C17H17ClN6O3 |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.10507 |
| Heavy Atoms | 27 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 138729-47-2 |
|---|---|
| SMILES | CN1CCN(C(C1)C2=NC=C(C=C2)Cl)C(=O)O[C@H]3C4=NC=CN=C4C(=O)N3 |
| InChIKey | IMJIVHUYBRMAOE-INSVYWFGSA-N |
Product Overview
艾司佐匹克隆 (CAS 138729-47-2), with molecular formula C17H17ClN6O3 and molecular weight 388.11 g/mol. IUPAC: [(7S)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyrazin-7-yl] 2-(5-chloro-2-pyridinyl)-4-methylpiperazine-1-carboxylate.
Chemical Property Profile of 艾司佐匹克隆
Property Insights of 艾司佐匹克隆
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 艾司佐匹克隆. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 艾司佐匹克隆. Following Lipinski's Rule of Five, 艾司佐匹克隆 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 艾司佐匹克隆?
The CAS number of 艾司佐匹克隆 is 138729-47-2.
What is the molecular formula of 艾司佐匹克隆?
The molecular formula of 艾司佐匹克隆 is C17H17ClN6O3.
What is the molecular weight of 艾司佐匹克隆?
The molecular weight of 艾司佐匹克隆 is 388.11 g/mol.
Where can I buy 艾司佐匹克隆?
You can request a quote for 艾司佐匹克隆 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 艾司佐匹克隆?
Yes, KEHONG BIO provides custom synthesis services for 艾司佐匹克隆 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.